1-cyclopropyl-3-(1-ethylpyrazol-4-yl)-1-(1H-indol-5-ylmethyl)urea

C18H21N5O — CID 118766067

IUPAC1-cyclopropyl-3-(1-ethylpyrazol-4-yl)-1-(1H-indol-5-ylmethyl)urea
SMILESCCn1cc(NC(=O)N(Cc2ccc3[nH]ccc3c2)C2CC2)cn1
InChIInChI=1S/C18H21N5O/c1-2-22-12-15(10-20-22)21-18(24)23(16-4-5-16)11-13-3-6-17-14(9-13)7-8-19-17/h3,6-10,12,16,19H,2,4-5,11H2,1H3,(H,21,24)
InChIKeyRXOUXDYDVAMBBF-UHFFFAOYSA-N
MW323.40 g/mol
LogP3.58
Rot. Bonds5

About 1-cyclopropyl-3-(1-ethylpyrazol-4-yl)-1-(1H-indol-5-ylmethyl)urea

1-cyclopropyl-3-(1-ethylpyrazol-4-yl)-1-(1H-indol-5-ylmethyl)urea (PubChem CID 118766067) has the molecular formula C18H21N5O and a molecular weight of 323.40 g/mol. Its IUPAC name is 1-cyclopropyl-3-(1-ethylpyrazol-4-yl)-1-(1H-indol-5-ylmethyl)urea.

Molecular Properties

Compound Name1-cyclopropyl-3-(1-ethylpyrazol-4-yl)-1-(1H-indol-5-ylmethyl)urea
PubChem CID118766067
Molecular FormulaC18H21N5O
Molecular Weight323.40 g/mol
Exact Mass323.17
IUPAC Name1-cyclopropyl-3-(1-ethylpyrazol-4-yl)-1-(1H-indol-5-ylmethyl)urea
SMILESCCn1cc(NC(=O)N(Cc2ccc3[nH]ccc3c2)C2CC2)cn1
InChIInChI=1S/C18H21N5O/c1-2-22-12-15(10-20-22)21-18(24)23(16-4-5-16)11-13-3-6-17-14(9-13)7-8-19-17/h3,6-10,12,16,19H,2,4-5,11H2,1H3,(H,21,24)
InChIKeyRXOUXDYDVAMBBF-UHFFFAOYSA-N
XLogP3.58
TPSA65.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-(1-ethylpyrazol-4-yl)-1-(1H-indol-5-ylmethyl)urea?
The IUPAC name of 1-cyclopropyl-3-(1-ethylpyrazol-4-yl)-1-(1H-indol-5-ylmethyl)urea (CID 118766067) is 1-cyclopropyl-3-(1-ethylpyrazol-4-yl)-1-(1H-indol-5-ylmethyl)urea.
What is the SMILES notation for 1-cyclopropyl-3-(1-ethylpyrazol-4-yl)-1-(1H-indol-5-ylmethyl)urea?
The canonical SMILES for 1-cyclopropyl-3-(1-ethylpyrazol-4-yl)-1-(1H-indol-5-ylmethyl)urea is CCn1cc(NC(=O)N(Cc2ccc3[nH]ccc3c2)C2CC2)cn1.
What is the InChIKey of 1-cyclopropyl-3-(1-ethylpyrazol-4-yl)-1-(1H-indol-5-ylmethyl)urea?
The InChIKey is RXOUXDYDVAMBBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O/c1-2-22-12-15(10-20-22)21-18(24)23(16-4-5-16)11-13-3-6-17-14(9-13)7-8-19-17/h3,6-10,12,16,19H,2,4-5,11H2,1H3,(H,21,24).
What are the key properties of 1-cyclopropyl-3-(1-ethylpyrazol-4-yl)-1-(1H-indol-5-ylmethyl)urea?
1-cyclopropyl-3-(1-ethylpyrazol-4-yl)-1-(1H-indol-5-ylmethyl)urea has a molecular weight of 323.40 g/mol, XLogP of 3.58, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-(1-ethylpyrazol-4-yl)-1-(1H-indol-5-ylmethyl)urea is sourced from PubChem (CID 118766067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).